2-[3,5-di(propan-2-yl)-4-pyridinyl]-N-[[4-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]acetamide

C20H29N3O5S2 — CID 153389913

IUPAC2-[3,5-di(propan-2-yl)-4-pyridinyl]-N-[[4-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]acetamide
SMILESCC(C)c1cncc(C(C)C)c1CC(=O)NS(=O)(=O)c1sc(C(C)(C)O)nc1CO
InChIInChI=1S/C20H29N3O5S2/c1-11(2)14-8-21-9-15(12(3)4)13(14)7-17(25)23-30(27,28)18-16(10-24)22-19(29-18)20(5,6)26/h8-9,11-12,24,26H,7,10H2,1-6H3,(H,23,25)
InChIKeyAXMOQXCQIFVBFU-UHFFFAOYSA-N
MW455.60 g/mol
LogP2.55
Rot. Bonds8

About 2-[3,5-di(propan-2-yl)-4-pyridinyl]-N-[[4-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]acetamide

2-[3,5-di(propan-2-yl)-4-pyridinyl]-N-[[4-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]acetamide (PubChem CID 153389913) has the molecular formula C20H29N3O5S2 and a molecular weight of 455.60 g/mol. Its IUPAC name is 2-[3,5-di(propan-2-yl)-4-pyridinyl]-N-[[4-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]acetamide.

Molecular Properties

Compound Name2-[3,5-di(propan-2-yl)-4-pyridinyl]-N-[[4-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]acetamide
PubChem CID153389913
Molecular FormulaC20H29N3O5S2
Molecular Weight455.60 g/mol
Exact Mass455.15
IUPAC Name2-[3,5-di(propan-2-yl)-4-pyridinyl]-N-[[4-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]acetamide
SMILESCC(C)c1cncc(C(C)C)c1CC(=O)NS(=O)(=O)c1sc(C(C)(C)O)nc1CO
InChIInChI=1S/C20H29N3O5S2/c1-11(2)14-8-21-9-15(12(3)4)13(14)7-17(25)23-30(27,28)18-16(10-24)22-19(29-18)20(5,6)26/h8-9,11-12,24,26H,7,10H2,1-6H3,(H,23,25)
InChIKeyAXMOQXCQIFVBFU-UHFFFAOYSA-N
XLogP2.55
TPSA129.48 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-di(propan-2-yl)-4-pyridinyl]-N-[[4-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]acetamide?
The IUPAC name of 2-[3,5-di(propan-2-yl)-4-pyridinyl]-N-[[4-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]acetamide (CID 153389913) is 2-[3,5-di(propan-2-yl)-4-pyridinyl]-N-[[4-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]acetamide.
What is the SMILES notation for 2-[3,5-di(propan-2-yl)-4-pyridinyl]-N-[[4-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]acetamide?
The canonical SMILES for 2-[3,5-di(propan-2-yl)-4-pyridinyl]-N-[[4-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]acetamide is CC(C)c1cncc(C(C)C)c1CC(=O)NS(=O)(=O)c1sc(C(C)(C)O)nc1CO.
What is the InChIKey of 2-[3,5-di(propan-2-yl)-4-pyridinyl]-N-[[4-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]acetamide?
The InChIKey is AXMOQXCQIFVBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O5S2/c1-11(2)14-8-21-9-15(12(3)4)13(14)7-17(25)23-30(27,28)18-16(10-24)22-19(29-18)20(5,6)26/h8-9,11-12,24,26H,7,10H2,1-6H3,(H,23,25).
What are the key properties of 2-[3,5-di(propan-2-yl)-4-pyridinyl]-N-[[4-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]acetamide?
2-[3,5-di(propan-2-yl)-4-pyridinyl]-N-[[4-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]acetamide has a molecular weight of 455.60 g/mol, XLogP of 2.55, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-di(propan-2-yl)-4-pyridinyl]-N-[[4-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]acetamide is sourced from PubChem (CID 153389913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).